Similarities between principal components of protein dynamics and random diffusion

  title={Similarities between principal components of protein dynamics and random diffusion},
  journal={Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics},
  volume={62 6 Pt B},
  • Hess
  • Published 2000 in
    Physical review. E, Statistical physics, plasmas…
Principal component analysis, also called essential dynamics, is a powerful tool for finding global, correlated motions in atomic simulations of macromolecules. It has become an established technique for analyzing molecular dynamics simulations of proteins. The first few principal components of simulations of large proteins often resemble cosines. We derive the principal components for high-dimensional random diffusion, which are almost perfect cosines. This resemblance between protein… CONTINUE READING


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